2-chloro-N-cyclopropyl-N-methylquinazolin-4-amine

C12H12ClN3 — CID 62476819

IUPAC2-chloro-N-cyclopropyl-N-methylquinazolin-4-amine
SMILESCN(c1nc(Cl)nc2ccccc12)C1CC1
InChIInChI=1S/C12H12ClN3/c1-16(8-6-7-8)11-9-4-2-3-5-10(9)14-12(13)15-11/h2-5,8H,6-7H2,1H3
InChIKeyGFPWHMTYHXAPAU-UHFFFAOYSA-N
MW233.70 g/mol
LogP2.88
Rot. Bonds2

About 2-chloro-N-cyclopropyl-N-methylquinazolin-4-amine

2-chloro-N-cyclopropyl-N-methylquinazolin-4-amine (PubChem CID 62476819) has the molecular formula C12H12ClN3 and a molecular weight of 233.70 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-N-methylquinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-N-methylquinazolin-4-amine
PubChem CID62476819
Molecular FormulaC12H12ClN3
Molecular Weight233.70 g/mol
Exact Mass233.07
IUPAC Name2-chloro-N-cyclopropyl-N-methylquinazolin-4-amine
SMILESCN(c1nc(Cl)nc2ccccc12)C1CC1
InChIInChI=1S/C12H12ClN3/c1-16(8-6-7-8)11-9-4-2-3-5-10(9)14-12(13)15-11/h2-5,8H,6-7H2,1H3
InChIKeyGFPWHMTYHXAPAU-UHFFFAOYSA-N
XLogP2.88
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-N-methylquinazolin-4-amine?
The IUPAC name of 2-chloro-N-cyclopropyl-N-methylquinazolin-4-amine (CID 62476819) is 2-chloro-N-cyclopropyl-N-methylquinazolin-4-amine.
What is the SMILES notation for 2-chloro-N-cyclopropyl-N-methylquinazolin-4-amine?
The canonical SMILES for 2-chloro-N-cyclopropyl-N-methylquinazolin-4-amine is CN(c1nc(Cl)nc2ccccc12)C1CC1.
What is the InChIKey of 2-chloro-N-cyclopropyl-N-methylquinazolin-4-amine?
The InChIKey is GFPWHMTYHXAPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3/c1-16(8-6-7-8)11-9-4-2-3-5-10(9)14-12(13)15-11/h2-5,8H,6-7H2,1H3.
What are the key properties of 2-chloro-N-cyclopropyl-N-methylquinazolin-4-amine?
2-chloro-N-cyclopropyl-N-methylquinazolin-4-amine has a molecular weight of 233.70 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-N-methylquinazolin-4-amine is sourced from PubChem (CID 62476819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).